(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol

C12H13BrN2O — CID 114634339

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
SMILESCCn1ncc(Br)c1C(O)c1ccccc1
InChIInChI=1S/C12H13BrN2O/c1-2-15-11(10(13)8-14-15)12(16)9-6-4-3-5-7-9/h3-8,12,16H,2H2,1H3
InChIKeyPYGJFKGDQZPSQN-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.75
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol

(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol (PubChem CID 114634339) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
PubChem CID114634339
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
SMILESCCn1ncc(Br)c1C(O)c1ccccc1
InChIInChI=1S/C12H13BrN2O/c1-2-15-11(10(13)8-14-15)12(16)9-6-4-3-5-7-9/h3-8,12,16H,2H2,1H3
InChIKeyPYGJFKGDQZPSQN-UHFFFAOYSA-N
XLogP2.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
(4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
CID 114636384
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol
CID 114645963
1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67963767
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol
CID 115834761
(4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-2-ylmethanol
CID 107357737
(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol
CID 115834800
1,3-benzodioxol-5-yl-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114634633
(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol
CID 114634794
1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 114648404
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105336192
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine
CID 114662162

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol (CID 114634339) is (4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol is CCn1ncc(Br)c1C(O)c1ccccc1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol?
The InChIKey is PYGJFKGDQZPSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-2-15-11(10(13)8-14-15)12(16)9-6-4-3-5-7-9/h3-8,12,16H,2H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol?
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol has a molecular weight of 281.15 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol is sourced from PubChem (CID 114634339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).